#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:47:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178723 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/34/4083406.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4083406
loop_
_publ_author_name
'Wei, Peng-Hui'
'Xu, Ling'
'Song, Li-Cheng'
'Zhang, Wen-Xiong'
'Xi, Zhenfeng'
_publ_section_title
;
 Cyclopentadienyl-Like Ligand as a Reactive Site in Half-Sandwich
 Bis(amidinato) Rare-Earth-Metal Complexes: An Efficient Application in
 Catalytic Addition of Amines to Carbodiimides
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2784
_journal_paper_doi               10.1021/om5002793
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C57 H66 Lu N4 Si'
_chemical_formula_weight         1010.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.10(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.046(3)
_cell_length_b                   15.570(3)
_cell_length_c                   24.249(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      1.70
_cell_volume                     5236.4(19)
_computing_cell_refinement       Rapid-AUTO
_computing_data_collection       'Rapid-AUTO (Rigaku,2000)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC,2000)'
_computing_molecular_graphics    'Siemens SHELXTL V4.2,(Sheldrick,1990)'
_computing_publication_material  SHELXL-97,(Sheldrick,1997)
_computing_structure_refinement  SHELXL-97,(Sheldrick,1997)
_computing_structure_solution    SHELXS-97,(Sheldrick,1997)
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku RAXIS RAPID IP'
_diffrn_measurement_method       Ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0949
_diffrn_reflns_av_sigmaI/netI    0.2886
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            28384
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.947
_exptl_absorpt_correction_T_max  0.8291
_exptl_absorpt_correction_T_min  0.6968
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
                                  HIGASHI, T. (1995). Abscor-Empirical 
                                  Absorption Correction based on Fourier 
                                  Series Approximation. 
                                  Rigaku Corporation,Tokyo,Japan. 
;
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2084
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.936
_refine_diff_density_min         -1.501
_refine_diff_density_rms         0.211
_refine_ls_extinction_coef       0.00016(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         11868
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1964
_refine_ls_R_factor_gt           0.0719
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1084
_refine_ls_wR_factor_ref         0.1315
_reflns_number_gt                4650
_reflns_number_total             11868
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5002793_si_002.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4083401--4083407.cif.
;
_cod_original_cell_volume        5236.0(18)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4083406
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Lu1 Lu 0.22728(3) 0.41384(3) 0.280616(18) 0.03365(13) Uani 1 1 d .
N1 N 0.2614(5) 0.5487(5) 0.3196(3) 0.0382(19) Uani 1 1 d .
N2 N 0.3814(5) 0.4703(5) 0.2923(3) 0.040(2) Uani 1 1 d .
N3 N 0.2632(6) 0.3169(5) 0.3508(3) 0.044(2) Uani 1 1 d .
N4 N 0.1263(5) 0.3884(5) 0.3450(3) 0.041(2) Uani 1 1 d .
Si1 Si 0.1254(3) 0.5396(2) 0.14644(13) 0.0723(11) Uani 1 1 d .
C1 C 0.1575(6) 0.4328(6) 0.1778(3) 0.038(3) Uani 1 1 d .
C2 C 0.0918(6) 0.3759(7) 0.2018(4) 0.043(3) Uani 1 1 d .
C3 C 0.1407(8) 0.2969(6) 0.2141(4) 0.047(3) Uani 1 1 d .
C4 C 0.2348(7) 0.3051(6) 0.1993(4) 0.035(2) Uani 1 1 d .
C5 C 0.2396(6) 0.3842(6) 0.1766(4) 0.039(3) Uani 1 1 d .
C6 C -0.0102(7) 0.3910(8) 0.2128(4) 0.068(4) Uani 1 1 d .
H6A H -0.0542 0.3873 0.1783 0.102 Uiso 1 1 calc R
H6B H -0.0145 0.4469 0.2289 0.102 Uiso 1 1 calc R
H6C H -0.0264 0.3482 0.2383 0.102 Uiso 1 1 calc R
C7 C 0.1042(8) 0.2184(7) 0.2401(4) 0.061(3) Uani 1 1 d .
H7A H 0.0883 0.1749 0.2121 0.091 Uiso 1 1 calc R
H7B H 0.0478 0.2330 0.2559 0.091 Uiso 1 1 calc R
H7C H 0.1533 0.1972 0.2690 0.091 Uiso 1 1 calc R
C8 C 0.3035(7) 0.2314(7) 0.2036(4) 0.057(3) Uani 1 1 d .
H8A H 0.2727 0.1830 0.1838 0.086 Uiso 1 1 calc R
H8B H 0.3227 0.2165 0.2422 0.086 Uiso 1 1 calc R
H8C H 0.3593 0.2474 0.1877 0.086 Uiso 1 1 calc R
C9 C 0.3233(7) 0.4136(8) 0.1521(4) 0.055(3) Uani 1 1 d .
H9A H 0.3810 0.3884 0.1721 0.082 Uiso 1 1 calc R
H9B H 0.3278 0.4750 0.1545 0.082 Uiso 1 1 calc R
H9C H 0.3157 0.3965 0.1136 0.082 Uiso 1 1 calc R
C10 C 0.2194(12) 0.6206(8) 0.1715(6) 0.123(6) Uani 1 1 d .
H10A H 0.2821 0.5953 0.1730 0.185 Uiso 1 1 calc R
H10B H 0.2115 0.6397 0.2082 0.185 Uiso 1 1 calc R
H10C H 0.2132 0.6687 0.1465 0.185 Uiso 1 1 calc R
C11 C 0.1228(12) 0.5335(10) 0.0695(5) 0.148(8) Uani 1 1 d .
H11A H 0.1840 0.5131 0.0619 0.223 Uiso 1 1 calc R
H11B H 0.1103 0.5895 0.0534 0.223 Uiso 1 1 calc R
H11C H 0.0729 0.4947 0.0535 0.223 Uiso 1 1 calc R
C12 C 0.0116(10) 0.5859(11) 0.1609(8) 0.164(8) Uani 1 1 d .
H12A H -0.0098 0.6295 0.1337 0.245 Uiso 1 1 calc R
H12B H 0.0214 0.6109 0.1975 0.245 Uiso 1 1 calc R
H12C H -0.0364 0.5416 0.1589 0.245 Uiso 1 1 calc R
C13 C 0.2227(6) 0.6003(7) 0.3592(4) 0.0416(13) Uani 1 1 d .
C14 C 0.1569(7) 0.6653(7) 0.3415(4) 0.049(3) Uani 1 1 d .
H14 H 0.1372 0.6743 0.3035 0.059 Uiso 1 1 calc R
C15 C 0.1219(8) 0.7148(7) 0.3781(4) 0.056(3) Uani 1 1 d .
H15 H 0.0838 0.7613 0.3644 0.067 Uiso 1 1 calc R
C16 C 0.1377(7) 0.7021(7) 0.4341(4) 0.051(3) Uani 1 1 d .
C17 C 0.2027(7) 0.6355(8) 0.4525(5) 0.067(4) Uani 1 1 d .
H17 H 0.2189 0.6248 0.4905 0.081 Uiso 1 1 calc R
C18 C 0.2435(6) 0.5851(8) 0.4146(4) 0.046(2) Uani 1 1 d .
H18 H 0.2853 0.5407 0.4277 0.055 Uiso 1 1 calc R
C19 C 0.0949(8) 0.7568(8) 0.4743(5) 0.082(4) Uani 1 1 d .
H19A H 0.1449 0.7763 0.5033 0.123 Uiso 1 1 calc R
H19B H 0.0486 0.7239 0.4906 0.123 Uiso 1 1 calc R
H19C H 0.0635 0.8055 0.4550 0.123 Uiso 1 1 calc R
C20 C 0.3567(6) 0.5412(7) 0.3218(4) 0.0416(13) Uani 1 1 d .
C21 C 0.4286(6) 0.5983(7) 0.3531(4) 0.036(2) Uani 1 1 d .
C22 C 0.4152(7) 0.6871(7) 0.3476(4) 0.055(3) Uani 1 1 d .
H22 H 0.3644 0.7097 0.3225 0.066 Uiso 1 1 calc R
C23 C 0.4798(10) 0.7408(9) 0.3806(5) 0.082(4) Uani 1 1 d .
H23 H 0.4737 0.7998 0.3753 0.099 Uiso 1 1 calc R
C24 C 0.5506(8) 0.7113(9) 0.4197(5) 0.069(4) Uani 1 1 d .
H24 H 0.5887 0.7489 0.4435 0.083 Uiso 1 1 calc R
C25 C 0.5651(7) 0.6247(9) 0.4236(5) 0.066(4) Uani 1 1 d .
H25 H 0.6158 0.6032 0.4492 0.079 Uiso 1 1 calc R
C26 C 0.5063(8) 0.5692(8) 0.3903(4) 0.061(3) Uani 1 1 d .
H26 H 0.5191 0.5105 0.3927 0.073 Uiso 1 1 calc R
C27 C 0.4741(6) 0.4550(7) 0.2784(4) 0.0416(13) Uani 1 1 d .
C28 C 0.5102(8) 0.3747(6) 0.2847(4) 0.049(3) Uani 1 1 d .
H28 H 0.4756 0.3323 0.3000 0.059 Uiso 1 1 calc R
C29 C 0.5995(6) 0.3542(7) 0.2685(4) 0.053(3) Uani 1 1 d .
H29 H 0.6220 0.2982 0.2739 0.064 Uiso 1 1 calc R
C30 C 0.6548(6) 0.4121(10) 0.2454(4) 0.061(3) Uani 1 1 d .
C31 C 0.6159(7) 0.4953(8) 0.2381(4) 0.057(3) Uani 1 1 d .
H31 H 0.6494 0.5373 0.2217 0.068 Uiso 1 1 calc R
C32 C 0.5256(6) 0.5173(6) 0.2554(4) 0.0416(13) Uani 1 1 d .
H32 H 0.5020 0.5731 0.2511 0.050 Uiso 1 1 calc R
C33 C 0.7489(6) 0.3948(10) 0.2290(4) 0.092(5) Uani 1 1 d .
H33A H 0.7740 0.3417 0.2455 0.137 Uiso 1 1 calc R
H33B H 0.7925 0.4407 0.2417 0.137 Uiso 1 1 calc R
H33C H 0.7420 0.3905 0.1891 0.137 Uiso 1 1 calc R
C34 C 0.3553(8) 0.2866(7) 0.3800(4) 0.055(3) Uani 1 1 d .
C35 C 0.3848(8) 0.2102(7) 0.3625(4) 0.057(3) Uani 1 1 d .
H35 H 0.3449 0.1763 0.3370 0.068 Uiso 1 1 calc R
C36 C 0.4790(9) 0.1848(8) 0.3847(5) 0.069(3) Uani 1 1 d .
H36 H 0.5013 0.1337 0.3716 0.082 Uiso 1 1 calc R
C37 C 0.5449(8) 0.2319(10) 0.4269(5) 0.077(4) Uani 1 1 d .
C38 C 0.4977(8) 0.3063(8) 0.4453(4) 0.066(4) Uani 1 1 d .
H38 H 0.5297 0.3380 0.4751 0.079 Uiso 1 1 calc R
C39 C 0.4087(8) 0.3323(7) 0.4211(4) 0.055(3) Uani 1 1 d .
H39 H 0.3837 0.3830 0.4331 0.066 Uiso 1 1 calc R
C40 C 0.6472(8) 0.2062(9) 0.4480(5) 0.098(5) Uani 1 1 d .
H40A H 0.6823 0.2549 0.4649 0.147 Uiso 1 1 calc R
H40B H 0.6769 0.1861 0.4173 0.147 Uiso 1 1 calc R
H40C H 0.6479 0.1612 0.4751 0.147 Uiso 1 1 calc R
C41 C 0.1905(6) 0.3388(7) 0.3767(4) 0.039(3) Uani 1 1 d .
C42 C 0.1817(7) 0.3086(9) 0.4337(4) 0.057(3) Uani 1 1 d .
C43 C 0.1967(7) 0.2207(8) 0.4476(5) 0.064(4) Uani 1 1 d .
H43 H 0.2108 0.1808 0.4215 0.077 Uiso 1 1 calc R
C44 C 0.1894(8) 0.1967(11) 0.5024(5) 0.079(5) Uani 1 1 d .
H44 H 0.1972 0.1391 0.5123 0.094 Uiso 1 1 calc R
C45 C 0.1719(9) 0.2530(13) 0.5409(6) 0.097(6) Uani 1 1 d .
H45 H 0.1713 0.2341 0.5772 0.116 Uiso 1 1 calc R
C46 C 0.1552(8) 0.3355(11) 0.5288(5) 0.083(5) Uani 1 1 d .
H46 H 0.1396 0.3727 0.5560 0.100 Uiso 1 1 calc R
C47 C 0.1610(8) 0.3669(8) 0.4741(4) 0.065(3) Uani 1 1 d .
H47 H 0.1514 0.4247 0.4655 0.078 Uiso 1 1 calc R
C48 C 0.0315(6) 0.4051(7) 0.3573(3) 0.038(2) Uani 1 1 d .
C49 C -0.0291(8) 0.3407(7) 0.3737(4) 0.046(3) Uani 1 1 d .
H49 H -0.0070 0.2845 0.3787 0.055 Uiso 1 1 calc R
C50 C -0.1198(8) 0.3612(8) 0.3824(4) 0.061(3) Uani 1 1 d .
H50 H -0.1587 0.3177 0.3927 0.073 Uiso 1 1 calc R
C51 C -0.1552(8) 0.4395(8) 0.3768(4) 0.052(3) Uani 1 1 d .
C52 C -0.1037(8) 0.5049(7) 0.3591(4) 0.059(3) Uani 1 1 d .
H52 H -0.1303 0.5594 0.3527 0.071 Uiso 1 1 calc R
C53 C -0.0091(8) 0.4875(7) 0.3510(4) 0.053(3) Uani 1 1 d .
H53 H 0.0284 0.5324 0.3410 0.063 Uiso 1 1 calc R
C54 C -0.2601(8) 0.4627(8) 0.3888(4) 0.080(4) Uani 1 1 d .
H54A H -0.3044 0.4184 0.3740 0.120 Uiso 1 1 calc R
H54B H -0.2802 0.5165 0.3714 0.120 Uiso 1 1 calc R
H54C H -0.2591 0.4672 0.4284 0.120 Uiso 1 1 calc R
C55 C 0.5349(16) 0.0187(12) 0.5239(6) 0.164(11) Uani 1 1 d .
H55A H 0.5112 0.0050 0.5583 0.197 Uiso 1 1 calc R
H55B H 0.5328 0.0808 0.5200 0.197 Uiso 1 1 calc R
C56 C 0.6451(17) -0.0100(14) 0.5310(10) 0.199(11) Uani 1 1 d .
H56A H 0.6491 -0.0717 0.5364 0.238 Uiso 1 1 calc R
H56B H 0.6704 0.0034 0.4971 0.238 Uiso 1 1 calc R
C57 C 0.7039(19) 0.0316(16) 0.5776(8) 0.249(17) Uani 1 1 d .
H57A H 0.6654 0.0721 0.5942 0.373 Uiso 1 1 calc R
H57B H 0.7562 0.0611 0.5647 0.373 Uiso 1 1 calc R
H57C H 0.7291 -0.0107 0.6048 0.373 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
N3 Lu1 N4 57.7(3) .
N3 Lu1 N2 93.9(3) .
N4 Lu1 N2 130.3(2) .
N3 Lu1 N1 106.8(3) .
N4 Lu1 N1 89.4(3) .
N2 Lu1 N1 58.5(3) .
N3 Lu1 C2 117.4(3) .
N4 Lu1 C2 90.1(3) .
N2 Lu1 C2 139.0(3) .
N1 Lu1 C2 126.7(3) .
N3 Lu1 C1 144.7(3) .
N4 Lu1 C1 120.0(3) .
N2 Lu1 C1 106.5(3) .
N1 Lu1 C1 108.5(3) .
C2 Lu1 C1 33.4(3) .
N3 Lu1 C5 124.7(3) .
N4 Lu1 C5 140.4(3) .
N2 Lu1 C5 89.0(3) .
N1 Lu1 C5 121.0(3) .
C2 Lu1 C5 52.1(3) .
C1 Lu1 C5 31.2(3) .
N3 Lu1 C3 91.5(3) .
N4 Lu1 C3 91.3(3) .
N2 Lu1 C3 132.7(3) .
N1 Lu1 C3 158.6(3) .
C2 Lu1 C3 32.0(3) .
C1 Lu1 C3 53.5(3) .
C5 Lu1 C3 50.9(3) .
N3 Lu1 C4 96.0(3) .
N4 Lu1 C4 120.1(3) .
N2 Lu1 C4 101.0(3) .
N1 Lu1 C4 149.6(3) .
C2 Lu1 C4 52.9(3) .
C1 Lu1 C4 52.5(3) .
C5 Lu1 C4 30.1(3) .
C3 Lu1 C4 31.8(3) .
N3 Lu1 C41 28.9(3) .
N4 Lu1 C41 29.2(2) .
N2 Lu1 C41 111.0(2) .
N1 Lu1 C41 95.4(3) .
C2 Lu1 C41 108.8(3) .
C1 Lu1 C41 142.2(3) .
C5 Lu1 C41 143.5(3) .
C3 Lu1 C41 95.5(3) .
C4 Lu1 C41 113.7(3) .
N3 Lu1 C20 98.7(3) .
N4 Lu1 C20 108.6(3) .
N2 Lu1 C20 30.0(2) .
N1 Lu1 C20 28.8(2) .
C2 Lu1 C20 143.9(3) .
C1 Lu1 C20 113.5(3) .
C5 Lu1 C20 109.7(3) .
C3 Lu1 C20 160.1(3) .
C4 Lu1 C20 129.3(3) .
C41 Lu1 C20 101.6(3) .
C20 N1 C13 120.6(7) .
C20 N1 Lu1 94.5(6) .
C13 N1 Lu1 135.1(6) .
C20 N2 C27 124.8(8) .
C20 N2 Lu1 93.5(5) .
C27 N2 Lu1 141.7(7) .
C41 N3 C34 123.2(8) .
C41 N3 Lu1 95.0(6) .
C34 N3 Lu1 131.1(7) .
C41 N4 C48 123.4(8) .
C41 N4 Lu1 93.3(5) .
C48 N4 Lu1 143.2(6) .
C12 Si1 C1 115.9(6) .
C12 Si1 C10 105.4(8) .
C1 Si1 C10 111.1(5) .
C12 Si1 C11 109.3(7) .
C1 Si1 C11 109.3(5) .
C10 Si1 C11 105.3(7) .
C5 C1 C2 104.9(8) .
C5 C1 Si1 129.2(7) .
C2 C1 Si1 125.3(7) .
C5 C1 Lu1 76.3(5) .
C2 C1 Lu1 73.2(5) .
Si1 C1 Lu1 122.4(4) .
C3 C2 C1 107.1(8) .
C3 C2 C6 122.4(10) .
C1 C2 C6 130.5(10) .
C3 C2 Lu1 76.3(5) .
C1 C2 Lu1 73.4(4) .
C6 C2 Lu1 116.5(6) .
C2 C3 C4 107.8(9) .
C2 C3 C7 127.5(11) .
C4 C3 C7 124.7(9) .
C2 C3 Lu1 71.7(5) .
C4 C3 Lu1 74.5(5) .
C7 C3 Lu1 117.7(6) .
C5 C4 C3 106.9(8) .
C5 C4 C8 130.8(9) .
C3 C4 C8 121.8(9) .
C5 C4 Lu1 74.2(6) .
C3 C4 Lu1 73.7(5) .
C8 C4 Lu1 123.2(6) .
C4 C5 C1 113.2(8) .
C4 C5 C9 122.8(9) .
C1 C5 C9 124.0(10) .
C4 C5 Lu1 75.7(6) .
C1 C5 Lu1 72.5(5) .
C9 C5 Lu1 121.2(6) .
C2 C6 H6A 109.5 .
C2 C6 H6B 109.5 .
H6A C6 H6B 109.5 .
C2 C6 H6C 109.5 .
H6A C6 H6C 109.5 .
H6B C6 H6C 109.5 .
C3 C7 H7A 109.5 .
C3 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C3 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C4 C8 H8A 109.5 .
C4 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C4 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C5 C9 H9A 109.5 .
C5 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C5 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
Si1 C10 H10A 109.5 .
Si1 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
Si1 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
Si1 C11 H11A 109.5 .
Si1 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
Si1 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
Si1 C12 H12A 109.5 .
Si1 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
Si1 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C18 C13 C14 117.4(9) .
C18 C13 N1 121.8(9) .
C14 C13 N1 120.6(8) .
C15 C14 C13 121.0(9) .
C15 C14 H14 119.5 .
C13 C14 H14 119.5 .
C14 C15 C16 124.4(10) .
C14 C15 H15 117.8 .
C16 C15 H15 117.8 .
C15 C16 C17 114.8(10) .
C15 C16 C19 123.5(10) .
C17 C16 C19 121.6(10) .
C18 C17 C16 121.3(10) .
C18 C17 H17 119.4 .
C16 C17 H17 119.4 .
C13 C18 C17 120.7(10) .
C13 C18 H18 119.7 .
C17 C18 H18 119.7 .
C16 C19 H19A 109.5 .
C16 C19 H19B 109.5 .
H19A C19 H19B 109.5 .
C16 C19 H19C 109.5 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
N1 C20 N2 112.3(8) .
N1 C20 C21 124.9(9) .
N2 C20 C21 122.8(8) .
N1 C20 Lu1 56.7(5) .
N2 C20 Lu1 56.5(4) .
C21 C20 Lu1 169.1(7) .
C26 C21 C22 117.9(9) .
C26 C21 C20 123.3(10) .
C22 C21 C20 118.7(8) .
C23 C22 C21 118.3(11) .
C23 C22 H22 120.9 .
C21 C22 H22 120.9 .
C24 C23 C22 123.0(13) .
C24 C23 H23 118.5 .
C22 C23 H23 118.5 .
C23 C24 C25 118.2(12) .
C23 C24 H24 120.9 .
C25 C24 H24 120.9 .
C24 C25 C26 120.9(11) .
C24 C25 H25 119.5 .
C26 C25 H25 119.5 .
C25 C26 C21 121.3(11) .
C25 C26 H26 119.3 .
C21 C26 H26 119.3 .
C28 C27 C32 119.1(9) .
C28 C27 N2 118.2(10) .
C32 C27 N2 122.5(9) .
C27 C28 C29 120.9(10) .
C27 C28 H28 119.6 .
C29 C28 H28 119.6 .
C30 C29 C28 123.6(11) .
C30 C29 H29 118.2 .
C28 C29 H29 118.2 .
C29 C30 C31 115.1(10) .
C29 C30 C33 125.9(14) .
C31 C30 C33 119.0(12) .
C30 C31 C32 121.7(10) .
C30 C31 H31 119.2 .
C32 C31 H31 119.2 .
C27 C32 C31 119.6(10) .
C27 C32 H32 120.2 .
C31 C32 H32 120.2 .
C30 C33 H33A 109.5 .
C30 C33 H33B 109.5 .
H33A C33 H33B 109.5 .
C30 C33 H33C 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
C35 C34 C39 122.3(11) .
C35 C34 N3 115.3(9) .
C39 C34 N3 122.4(10) .
C34 C35 C36 116.4(10) .
C34 C35 H35 121.8 .
C36 C35 H35 121.8 .
C35 C36 C37 125.5(11) .
C35 C36 H36 117.3 .
C37 C36 H36 117.3 .
C38 C37 C36 110.3(9) .
C38 C37 C40 124.9(13) .
C36 C37 C40 124.7(13) .
C39 C38 C37 122.9(11) .
C39 C38 H38 118.5 .
C37 C38 H38 118.5 .
C34 C39 C38 121.9(11) .
C34 C39 H39 119.0 .
C38 C39 H39 119.0 .
C37 C40 H40A 109.5 .
C37 C40 H40B 109.5 .
H40A C40 H40B 109.5 .
C37 C40 H40C 109.5 .
H40A C40 H40C 109.5 .
H40B C40 H40C 109.5 .
N3 C41 N4 112.2(8) .
N3 C41 C42 122.9(9) .
N4 C41 C42 124.9(9) .
N3 C41 Lu1 56.0(5) .
N4 C41 Lu1 57.5(5) .
C42 C41 Lu1 170.5(7) .
C47 C42 C43 120.0(10) .
C47 C42 C41 120.3(11) .
C43 C42 C41 119.7(11) .
C44 C43 C42 116.9(13) .
C44 C43 H43 121.5 .
C42 C43 H43 121.5 .
C45 C44 C43 122.7(15) .
C45 C44 H44 118.7 .
C43 C44 H44 118.7 .
C44 C45 C46 121.8(14) .
C44 C45 H45 119.1 .
C46 C45 H45 119.1 .
C45 C46 C47 120.1(14) .
C45 C46 H46 120.0 .
C47 C46 H46 120.0 .
C42 C47 C46 118.5(12) .
C42 C47 H47 120.8 .
C46 C47 H47 120.8 .
C53 C48 C49 115.4(9) .
C53 C48 N4 121.2(10) .
C49 C48 N4 123.3(9) .
C50 C49 C48 119.8(10) .
C50 C49 H49 120.1 .
C48 C49 H49 120.1 .
C51 C50 C49 123.3(12) .
C51 C50 H50 118.4 .
C49 C50 H50 118.4 .
C50 C51 C52 121.1(11) .
C50 C51 C54 122.5(11) .
C52 C51 C54 116.4(11) .
C51 C52 C53 117.7(10) .
C51 C52 H52 121.1 .
C53 C52 H52 121.1 .
C52 C53 C48 122.6(10) .
C52 C53 H53 118.7 .
C48 C53 H53 118.7 .
C51 C54 H54A 109.5 .
C51 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C51 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
C55 C55 C56 118(2) 3_656
C55 C55 H55A 107.7 3_656
C56 C55 H55A 107.7 .
C55 C55 H55B 107.7 3_656
C56 C55 H55B 107.7 .
H55A C55 H55B 107.1 .
C57 C56 C55 113(2) .
C57 C56 H56A 109.1 .
C55 C56 H56A 109.1 .
C57 C56 H56B 109.1 .
C55 C56 H56B 109.1 .
H56A C56 H56B 107.8 .
C56 C57 H57A 109.5 .
C56 C57 H57B 109.5 .
H57A C57 H57B 109.5 .
C56 C57 H57C 109.5 .
H57A C57 H57C 109.5 .
H57B C57 H57C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Lu1 N3 2.272(8) .
Lu1 N4 2.304(7) .
Lu1 N2 2.312(7) .
Lu1 N1 2.321(7) .
Lu1 C2 2.544(7) .
Lu1 C1 2.548(8) .
Lu1 C5 2.596(9) .
Lu1 C3 2.603(9) .
Lu1 C4 2.614(9) .
Lu1 C41 2.728(9) .
Lu1 C20 2.768(9) .
N1 C20 1.337(10) .
N1 C13 1.423(11) .
N2 C20 1.388(11) .
N2 C27 1.417(11) .
N3 C41 1.325(11) .
N3 C34 1.451(12) .
N4 C41 1.334(10) .
N4 C48 1.434(10) .
Si1 C12 1.838(14) .
Si1 C1 1.855(10) .
Si1 C10 1.858(13) .
Si1 C11 1.863(12) .
C1 C5 1.383(12) .
C1 C2 1.463(13) .
C2 C3 1.418(13) .
C2 C6 1.517(12) .
C3 C4 1.428(14) .
C3 C7 1.503(13) .
C4 C5 1.354(12) .
C4 C8 1.492(12) .
C5 C9 1.473(13) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C18 1.351(11) .
C13 C14 1.392(13) .
C14 C15 1.327(13) .
C14 H14 0.9300 .
C15 C16 1.356(13) .
C15 H15 0.9300 .
C16 C17 1.406(14) .
C16 C19 1.492(14) .
C17 C18 1.396(14) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C21 1.464(12) .
C21 C26 1.379(12) .
C21 C22 1.399(14) .
C22 C23 1.390(13) .
C22 H22 0.9300 .
C23 C24 1.341(15) .
C23 H23 0.9300 .
C24 C25 1.364(16) .
C24 H24 0.9300 .
C25 C26 1.368(13) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C28 1.348(12) .
C27 C32 1.379(13) .
C28 C29 1.409(14) .
C28 H28 0.9300 .
C29 C30 1.368(15) .
C29 H29 0.9300 .
C30 C31 1.407(16) .
C30 C33 1.464(13) .
C31 C32 1.439(13) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 C35 1.350(14) .
C34 C39 1.350(13) .
C35 C36 1.404(14) .
C35 H35 0.9300 .
C36 C37 1.464(16) .
C36 H36 0.9300 .
C37 C38 1.440(17) .
C37 C40 1.501(13) .
C38 C39 1.356(13) .
C38 H38 0.9300 .
C39 H39 0.9300 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 C42 1.484(13) .
C42 C47 1.398(15) .
C42 C43 1.417(15) .
C43 C44 1.399(14) .
C43 H43 0.9300 .
C44 C45 1.33(2) .
C44 H44 0.9300 .
C45 C46 1.33(2) .
C45 H45 0.9300 .
C46 C47 1.428(15) .
C46 H46 0.9300 .
C47 H47 0.9300 .
C48 C53 1.402(14) .
C48 C49 1.412(14) .
C49 C50 1.362(14) .
C49 H49 0.9300 .
C50 C51 1.316(14) .
C50 H50 0.9300 .
C51 C52 1.357(15) .
C51 C54 1.588(14) .
C52 C53 1.401(15) .
C52 H52 0.9300 .
C53 H53 0.9300 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 C55 1.51(3) 3_656
C55 C56 1.59(3) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 C57 1.44(2) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
